1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol

C19H26N2O3 — CID 3066381

IUPAC1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol
SMILESCN(C)c1cccc(OCC(O)COc2cccc(N(C)C)c2)c1
InChIInChI=1S/C19H26N2O3/c1-20(2)15-7-5-9-18(11-15)23-13-17(22)14-24-19-10-6-8-16(12-19)21(3)4/h5-12,17,22H,13-14H2,1-4H3
InChIKeyGTYSVIXPFSBNOT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.64
Rot. Bonds8

About 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol

1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol (PubChem CID 3066381) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol
PubChem CID3066381
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol
SMILESCN(C)c1cccc(OCC(O)COc2cccc(N(C)C)c2)c1
InChIInChI=1S/C19H26N2O3/c1-20(2)15-7-5-9-18(11-15)23-13-17(22)14-24-19-10-6-8-16(12-19)21(3)4/h5-12,17,22H,13-14H2,1-4H3
InChIKeyGTYSVIXPFSBNOT-UHFFFAOYSA-N
XLogP2.64
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol?
The IUPAC name of 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol (CID 3066381) is 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol.
What is the SMILES notation for 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol?
The canonical SMILES for 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol is CN(C)c1cccc(OCC(O)COc2cccc(N(C)C)c2)c1.
What is the InChIKey of 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol?
The InChIKey is GTYSVIXPFSBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-20(2)15-7-5-9-18(11-15)23-13-17(22)14-24-19-10-6-8-16(12-19)21(3)4/h5-12,17,22H,13-14H2,1-4H3.
What are the key properties of 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol?
1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol has a molecular weight of 330.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[3-(dimethylamino)phenoxy]propan-2-ol is sourced from PubChem (CID 3066381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).